Spektraris NMR
6-Epiangustifolin
Common Name: 6-Epiangustifolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-11-12-7-13(22)14-20(10-27-18(24)21(14,8-12)16(11)23)6-4-5-19(2)9-26-17(25-3)15(19)20/h12-15,17,22H,1,4-10H2,2-3H3/t12-,13-,14+,15-,17-,19+,20-,21+/m1/s1
InChIKey: InChIKey=OCIBRRBOOBNKJY-YHDMYULQSA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Na, Z., Xiang, W., Niu, X.M., Mei, S.X., Lin, Z.W., Li, C.M., Sun, H.D. Phytochemistry (2002) 60, 55-60
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 26.8 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 35.3 |
| 4 (C) | 38.7 |
| 5 (CH) | 49.7 |
| 6 (CH) | 107.5 |
| 7 (C) | 171.6 |
| 8 (C) | 54.4 |
| 9 (CH) | 44.2 |
| 10 (C) | 38.2 |
| 11 (CH) | 65.6 |
| 12 (CH2) | 42.3 |
| 13 (CH) | 35.1 |
| 14 (CH2) | 34.4 |
| 15 (C) | 200 |
| 16 (C) | 151.4 |
| 17 (CH2) | 118.1 |
| 18 (CH3) | 25 |
| 19 (CH2) | 82.1 |
| 20 (CH2) | 74.2 |
| 6a (CH3) | 54.4 |
